Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. Molecular systems often form organized molecular crystals, polymers, or thin films that are significantly more complex than current materials. To provide a sound basis for understanding these levels of complexity, this book provides an analysis of the fundamentals of electronic structures, dynamic processes in condensed phases, and the unique properties of organic molecular solids and the environmental effects on these properties. Also covered are the latest methods in physical chemistry that are particularly useful for deriving and controlling the functionality of molecular systems. A second volume subtitled From Molecular Systems to Molecular Devices is also being published.
An understanding of the nervous system at virtually any level of analysis requires an understanding of its basic building block, the neuron. From Molecules to Networks provides the solid foundation of the morphologic, biochemical, and biophysical properties of nerve cells. All chapters have been thoroughly revised for this second edition to reflect the significant advances of the past 5 years. The new edition expands on the network aspects of cellular neurobiology by adding a new chapter, Information Processing in Neural Networks, and on the relation of cell biological processes to various neurological diseases. The new concluding chapter illustrates how the great strides in understanding the biochemical and biophysical properties of nerve cells have led to fundamental insights into important aspects of neurodegenerative disease. - Written and edited by leading experts in the field, the second edition completely and comprehensively updates all chapters of this unique textbook - Discusses emerging new understanding of non-classical molecules that affect neuronal signaling - Full colour, professional graphics throughout - Includes two new chapters: Information Processing in Neural Networks - describes the principles of operation of neural networks and the key circuit motifs that are common to many networks in the nervous system. Molecular and Cellular Mechanisms of Neurodegenerative Disease - introduces the progress made in the last 20 years in elucidating the cellular and molecular mechanisms underlying brain disorders, including Amyotrophic Lateral Sclerosis (ALS), Parkinson disease, and Alzheimer's disease
Schrodinger's riddle -- The quality of life -- Cells in nature and in theory -- Molecular logic -- A (almost) comprehensible cell -- It takes a cell to make a cell -- Morphogenesis: where form and function meet -- The advance of the microbes -- By descent with modification -- So what is life? -- Searching for the beginning.
Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
This book presents experimental and theoretical spectroscopic studies performed over the last 25 years on the iodine molecule’s excited states and their perturbations. It is going to be of interest to researchers who study intra- and intermolecular perturbations in diatomic molecules and more complex systems. The book offers a detailed treatment of the nonadiabatic perturbations of valence, ion-pair and Rydberg states induced by intramolecular as well as intermolecular interactions in collisions or in weakly-bound complexes. It also provides an overview of current instrumentation and techniques as well as theoretical approaches describing intra- and intermolecular perturbations. The authors are experts in the use of spectroscopy for the study of intrinsic and collision-induced perturbations in diatomic iodine. They introduced a new method of three-step optical population of the iodine ion-pair states. The iodine molecule has 23 valence states correlating with three dissociation limits, 20 so-called ion-pair states, nestled in four tiers and a multitude of Rydberg states. All the states have different angular momenta, parities and very dense rovibronic levels. Moreover, perturbations caused by atomic or molecular partners lead to effective nonadiabatic transitions. For these reasons the authors propose this molecule as a model system for spectroscopic studies of intra- and intermolecular perturbations in other diatomic molecules.
Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.
A tutorial for calculating the response of molecules to electric and magnetic fields with examples from research in ultracold physics, controlled chemistry, and molecular collisions in fields Molecules in Electromagnetic Fields is intended to serve as a tutorial for students beginning research, theoretical or experimental, in an area related to molecular physics. The author—a noted expert in the field—offers a systematic discussion of the effects of static and dynamic electric and magnetic fields on the rotational, fine, and hyperfine structure of molecules. The book illustrates how the concepts developed in ultracold physics research have led to what may be the beginning of controlled chemistry in the fully quantum regime. Offering a glimpse of the current state of the art research, this book suggests future research avenues for ultracold chemistry. The text describes theories needed to understand recent exciting developments in the research on trapping molecules, guiding molecular beams, laser control of molecular rotations, and external field control of microscopic intermolecular interactions. In addition, the author presents the description of scattering theory for molecules in electromagnetic fields and offers practical advice for students working on various aspects of molecular interactions. This important text: Offers information on theeffects of electromagnetic fields on the structure of molecular energy levels Includes thorough descriptions of the most useful theories for ultracold molecule researchers Presents a wealth of illustrative examples from recent experimental and theoretical work Contains helpful exercises that help to reinforce concepts presented throughout text Written for senior undergraduate and graduate students, professors, researchers, physicists, physical chemists, and chemical physicists, Molecules in Electromagnetic Fields is an interdisciplinary text describing theories and examples from the core of contemporary molecular physics.
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
Molecular Crystals and Molecules deals with some of the problems of molecular crystallography and certain aspects of molecular structure. This book is composed of eight chapters that specifically cover the significant progress of conformational research. The opening chapter describes the structure of crystals considering the close-packing principle, disorder elements, and binary systems. The next two chapters examine the calculation of crystal lattice energy and dynamics. These topics are followed by discussions on the molecular movement, structural, and thermodynamic aspects of crystals. The final chapters look into the parameters for conformational calculations of molecules, macromolecules, and biopolymers. This book will be of great value to physical chemists and researchers who are interested in crystal and molecular structure.
